methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate

C9H14N2O2S — CID 60981922

IUPACmethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate
SMILESCCc1ncc(CNCC(=O)OC)s1
InChIInChI=1S/C9H14N2O2S/c1-3-8-11-5-7(14-8)4-10-6-9(12)13-2/h5,10H,3-4,6H2,1-2H3
InChIKeyAKJBGHPRONZXDD-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.97
Rot. Bonds5

About methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate

methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate (PubChem CID 60981922) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate
PubChem CID60981922
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate
SMILESCCc1ncc(CNCC(=O)OC)s1
InChIInChI=1S/C9H14N2O2S/c1-3-8-11-5-7(14-8)4-10-6-9(12)13-2/h5,10H,3-4,6H2,1-2H3
InChIKeyAKJBGHPRONZXDD-UHFFFAOYSA-N
XLogP0.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate (CID 60981922) is methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate is CCc1ncc(CNCC(=O)OC)s1.
What is the InChIKey of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate?
The InChIKey is AKJBGHPRONZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-8-11-5-7(14-8)4-10-6-9(12)13-2/h5,10H,3-4,6H2,1-2H3.
What are the key properties of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate?
methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate has a molecular weight of 214.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetate is sourced from PubChem (CID 60981922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).